[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium

C10H11ClN4O3P+ — CID 19759666

IUPAC[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
SMILESCc1c(Cl)cc2[nH]c(C(N)=O)nc2c1CN[P+](=O)O
InChIInChI=1S/C10H10ClN4O3P/c1-4-5(3-13-19(17)18)8-7(2-6(4)11)14-10(15-8)9(12)16/h2H,3H2,1H3,(H4-,12,13,14,15,16,17,18)/p+1
InChIKeyUNHJNTMTKZCLHZ-UHFFFAOYSA-O
MW301.65 g/mol
LogP1.36
Rot. Bonds4

About [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium

[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium (PubChem CID 19759666) has the molecular formula C10H11ClN4O3P+ and a molecular weight of 301.65 g/mol. Its IUPAC name is [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
PubChem CID19759666
Molecular FormulaC10H11ClN4O3P+
Molecular Weight301.65 g/mol
Exact Mass301.03
IUPAC Name[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
SMILESCc1c(Cl)cc2[nH]c(C(N)=O)nc2c1CN[P+](=O)O
InChIInChI=1S/C10H10ClN4O3P/c1-4-5(3-13-19(17)18)8-7(2-6(4)11)14-10(15-8)9(12)16/h2H,3H2,1H3,(H4-,12,13,14,15,16,17,18)/p+1
InChIKeyUNHJNTMTKZCLHZ-UHFFFAOYSA-O
XLogP1.36
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The IUPAC name of [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium (CID 19759666) is [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium.
What is the SMILES notation for [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The canonical SMILES for [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium is Cc1c(Cl)cc2[nH]c(C(N)=O)nc2c1CN[P+](=O)O.
What is the InChIKey of [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The InChIKey is UNHJNTMTKZCLHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10ClN4O3P/c1-4-5(3-13-19(17)18)8-7(2-6(4)11)14-10(15-8)9(12)16/h2H,3H2,1H3,(H4-,12,13,14,15,16,17,18)/p+1.
What are the key properties of [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
[(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium has a molecular weight of 301.65 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-carbamoyl-6-chloro-5-methyl-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium is sourced from PubChem (CID 19759666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).